Subject: announcement: deMon2k v. 1.0.4 is available for download

From: Serguei Patchkovskii <ps..at..ned.sims.nrc.ca>
Date: Wed, 4 Aug 2004 13:33:08 -0400 (EDT)

August 4, 2004

On behalf of the deMon developers community, it is my pleasure
to announce the release of deMon2k 1.0.4 - the first public
release of the new version deMon in three years. deMon is a
code for electronic structure calculations in molecular systems,
using density functional theory (DFT). The major features of
deMon2k include:

* Variational auxiliary fitting of the charge densities,
  allowing rapid, accurate DFT calculations on large systems.
* Ab initio molecular dynamics the Born-Oppenheimer energy surface
* Support for scalar effective core potentials (ECPs).
* Support for common local and gradient-corrected exchange-
  correlation functionals.
* Hybrid quantum mechanics/molecular mechanics (QM/MM)
  calculations, including effective capping potentials
* Support for periodic boundary conditions in QM/MM simulations
* Interface to NMR properties packages MASTER and MAG
  (chemical shielding, A-tensors, and EFG tensor modules
  are included).
* Interface to Vu advanced scientific visualization package.
* Various properties and analysis tools.

The fully functional precompiled binaries of deMon2k 1.0.4 for
a few most popular computer platforms can be downloaded from
the deMon home page, at:

  http://www.deMon-software.com/

For further information, to obtain access to deMon source code,
or to join the deMon developers community, you are welcome to
contact deMon gatekeeper, at:

  deMonkey..at..deMon-software.com

On behalf of all deMon developers,

Serguei